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We have used the QSAR toolbox in various cases for internal prioritization of chemicals in the pipeline (to remove bad actors). For example for fuel additives.

QSAR Toolbox is used widely in the screening and risk assessment of several chemicals under the IMAP framework. Available endpoints from the Toolbox databases are gathered to determine human health and environmental hazards.

Within the REACH framework, my Institute is involved in substance evaluation (Community Rolling action plan-CoRAP) and dossier evaluation (Draft Decision) process. In this context, I use the QSAR Toolbox in the evaluation of the use of alternative in silico methods. My focus is mainly on genotoxicity and carcinogenicity endpoints.

We are currently using the OECD ToolBox as a critical component of our Safety Assessment program.

In accordance with brazilian law for pesticides registers based in equivalence criteria, as established by FAO, we use Tool box and other expert system as weight of evidence for asking long term studies or avoid them.

The Toolbox was used to evaluate new cleaning agent candidates for medical devices following the discontinuation of agents currently in use based on REACH requirements. The Toolbox aided in discovering additional agents that would likely be affected by this regulation based on their QSAR properties.

Regulatory authority: EU’s OSPAR Commission A UVCB substance had to be assessed for its bioaccumulation potential […..] After some technical discussions, CEFAS, the UK authority responsible for implementing OSPAR regulation, accepted our prediction and approval was granted for chemical in question. This lead to the launch of a proprietary product for North Sea applications.

REACH Draft decision notification was received from ECHA to submit further information on the registered substance […] for activity as an endocrine (ED) disrupting chemical. We therefore conducted an exploratory in silico investigation using the QSAR toolbox.

Mostly we use the OECD QSAR Toolbox within 1223/2009 to search toxicological information on new raw materials for the use in cosmetics. The purpose is risk assessment of a raw material in a cosmetic product.

Biocides (Regulation (EC) No 528/2012 and agrochemicals: [….] Here the Toolbox profiling of known impurites or metabolites was performed in order to evaluate their toxicity potential (including ecotoxicity, PBT assessment) for comparison with the parent substance.